zorkzou/Molden2AIM

Issues

• Normalization check failure

  #17 opened 9 months ago by Madu86
  1

• About the ghost atom

  #15 opened a year ago by mhyeok1
  3

• Spin polarization lost when transforming CASSCF files for an open-shell state (quartet)

  #16 opened a year ago by valerie-vallet
  1

• ver. 5.0.7 not recognising Xe

  #14 opened a year ago by rdmpz
  2

• Cartesian-to-Spherical MO Coefficients Conversion

  #13 opened 2 years ago by gaurabganguly1989
  10

• Generating .47 file

  #12 opened 3 years ago by alintoth
  0

• 'Strange occupation' override switch

  #11 opened 3 years ago by srk
  1

• RECOMMENDATION: optionally, put the hostname and full path to the input MOLDEN file in the 'Title' tag of the output file

  #10 opened 3 years ago by srk
  4

• Compilation fails with gcc 10.1.0 (Error: Type mismatch in argument …)

  #9 opened 4 years ago by goofus
  2

• Counterpoise Corrected WF (remove nulceii)

  #7 opened 4 years ago by goofus
  7

• molden file from turbomole

  #8 opened 4 years ago by angelikac86
  7

• Normalization Check Failed when generating .wfn/.wfx file from NWChem 6.8 molden file output

  #6 opened 6 years ago
  8

• Got "Normalization check failed." when generate a *.wfn from a molden file of ORCA

  #5 opened 7 years ago by NKUCodingCat
  2

• Segmentation fault: 11

  #4 opened 7 years ago by Karen-yx
  5

• Terachem Molden file error

  #3 opened 7 years ago by amrhamedp
  3

• Using Molden2AIM for large systems

  #2 opened 8 years ago by helenaqi
  4

• Generating .47 file from Molcas

  #1 opened 9 years ago by tjduigna
  5